相关实验视频
Updated: Jun 23, 2025

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Research and Development of High-performance Explosives
Published on: February 20, 2016
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通过反应分子动力学研究的HMX/HTPB混合爆炸物的热分解机制
Fang Chen1, Tianhao Li2, Linxiu Zhao2
1School of Chemistry and Chemical Engineering, North University of China, Taiyuan, 030051, Shanxi, China. f_chen@nuc.edu.cn.
Journal of molecular modeling
|June 22, 2024
概括
添加基终结聚乙烯 (HTPB) 结合剂可以增强八-1,3,5,7-四-1,3,5,7-四 (HMX) 爆炸物的热分解. 这种结合剂降低了激活能量,改变了分解途径,导致H2O和H2的产生增加.
科学领域:
- 计算化学是一种计算化学.
- 材料科学 是一种材料科学.
- 化学工程是化学工程的组成部分.
背景情况:
- 研究了HMX/HTPB混合爆炸物和纯HMX的热分解.
- 在原子尺度上分析了粘合剂对HMX分解的影响.
- 揭示了HMX/HTPB的热分解机制.
研究的目的:
- 在原子尺度上分析结合剂对HMX热分解的影响.
- 揭示HMX/HTPB的热分解机制.
主要方法:
- 采用了反应分子动力学 (LAMMPS中的ReaxFF模块).
- 在20003500K的模拟HMX/HTPB混合系统.
- 利用ReaxFF/lg力场进行相互作用和反应.
主要成果:
- HMX的分解包括化和环分解;HTPB经历脱,脱和碎片化.
- 加入HTPB显著增加了H和OH基,促进了H2O和H2的形成.
- HTPB碎片阻碍了N2和CO2的形成;HMX/HTPB的激活能量低于纯HMX.
结论:
- HTPB增强了HMX的热分解.
- HMX/HTPB系统对热刺激的敏感性降低.
- 添加结合剂改变了分解路径和最终产品的产量.
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